| PDB CCD ID: | WWX |
| Number of entries in BioLiP: | 11 |
| Chemical formula: | C22 H21 F3 N2 O6 S2 |
| InChI: | InChI=1S/C22H21F3N2O6S2/c23-15-16(24)22(34(30,31)12-11-28)19(17(25)21(15)35(26,32)33)27-18(13-7-3-1-4-8-13)20(29)14-9-5-2-6-10-14/h1-10,18,20,27-29H,11-12H2,(H2,26,32,33)/t18-,20+/m1/s1 |
| InChIKey: | ZOZJONWJZVJBCD-QUCCMNQESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F | | CACTVS 3.385 | N[S](=O)(=O)c1c(F)c(F)c(c(N[CH]([CH](O)c2ccccc2)c3ccccc3)c1F)[S](=O)(=O)CCO | | CACTVS 3.385 | N[S](=O)(=O)c1c(F)c(F)c(c(N[C@@H]([C@@H](O)c2ccccc2)c3ccccc3)c1F)[S](=O)(=O)CCO | | ACDLabs 12.01 | O=S(=O)(c3c(F)c(F)c(c(F)c3NC(c1ccccc1)C(O)c2ccccc2)S(=O)(=O)N)CCO | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C(C(c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F |
|
| Name: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide |
| ZINC: | ZINC000231128583 |
